N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C24H30FN3O2 — CID 55484095

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)Cc1ccccc1
InChIInChI=1S/C24H30FN3O2/c1-27(2)22(15-18-7-4-3-5-8-18)16-26-23(29)20-9-6-14-28(17-20)24(30)19-10-12-21(25)13-11-19/h3-5,7-8,10-13,20,22H,6,9,14-17H2,1-2H3,(H,26,29)
InChIKeyATEVYMFUJJJHJX-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 55484095) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID55484095
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)Cc1ccccc1
InChIInChI=1S/C24H30FN3O2/c1-27(2)22(15-18-7-4-3-5-8-18)16-26-23(29)20-9-6-14-28(17-20)24(30)19-10-12-21(25)13-11-19/h3-5,7-8,10-13,20,22H,6,9,14-17H2,1-2H3,(H,26,29)
InChIKeyATEVYMFUJJJHJX-UHFFFAOYSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 51272724
(3R)-N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 97017532
N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 46413986
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 55484095) is N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CN(C)C(CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is ATEVYMFUJJJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-27(2)22(15-18-7-4-3-5-8-18)16-26-23(29)20-9-6-14-28(17-20)24(30)19-10-12-21(25)13-11-19/h3-5,7-8,10-13,20,22H,6,9,14-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55484095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).